7-[3-(4-benzylpiperazin-1-yl)-3-oxopropane-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-[3-(4-benzylpiperazin-1-yl)-3-oxopropane-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-[3-(4-benzylpiperazin-1-yl)-3-oxopropane-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E511-0122 |
| Compound Name: | 7-[3-(4-benzylpiperazin-1-yl)-3-oxopropane-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Smiles: | Cc1cc2c(cc1S(CCC(N1CCN(CC1)Cc1ccccc1)=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0686 |
| logD: | 1.0354 |
| logSw: | -2.4742 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.206 |
| InChI Key: | KLRHQLFXJKFVGT-UHFFFAOYSA-N |